[2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-heptylbenzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-heptylbenzoate Openeye Name: (2,3-difluoro-4-heptoxy-phenyl) 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid (2,3-difluoro-4-heptoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-heptoxyphenyl) 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid (2,3-difluoro-4-heptoxy-phenyl) ester Formula: C27H36F2O3 MolecularWeight: 446.569746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)F)F

InChI

InChI=1S/C27H36F2O3/c1-3-5-7-9-11-13-21-14-16-22(17-15-21)27(30)32-24-19-18-23(25(28)26(24)29)31-20-12-10-8-6-4-2/h14-19H,3-13,20H2,1-2H3